Carbon Nanotubes as Biosensors for Releasing Conjugated Bisphosphonates–Metal Ions in Bone Tissue: Targeted Drug Delivery through the DFT Method

Bisphosphonate (BP) agents have attracted much attention for their precise therapy in some skeletal maladies demonstrated by enhancing osteoclast-mediated bone resorption. In this work, the use of CAM-B3LYP/6-311+G(d,p)/LANL2DZ to estimate susceptibility single-walled carbon nanotube (SWCNT) adsorbing alendronate, ibandronate, neridronate, and pamidronate chelated two metal cations 2Mg2+, 2Ca2+, 2Sr2+ through nuclear magnetic resonance thermodynamic parameters has been accomplished. For most biological medications, oral bioavailability is too low reach a therapeutic level, advanced delivery systems such as formulations including permeation enhancers or enzyme inhibitors, lipid-based nanocarriers, microneedles will likely increase these medications properly. Therefore, measurements described that eventuality using SWCNT BP becomes norm chelating drug system, which selected (alendronate, pamidronate) → 2X (X = Mg2+/Ca2+/Sr2+) complexes. The NMR results complexes adsorbed onto (5,5) armchair remarked location active sites tagged nitrogen (N), phosphorus (S), oxygen (O), magnesium (Mg2+), calcium (Ca2+), strontium (Sr2+) molecules replace movement charge electron transfer polar bisphosphonates (BPs) toward (CNT). exhibited substitution 2Ca2+ cation compound bioactive glasses can be efficient treating vertebral complex fractures. However, fluctuation Gibbs free energy BPs observed at 300 K. This manuscript aimed show easily penetrate cells, delivering BP–cations directly tissue. Drug improve pharmacological profile, efficacy drugs lower occurrence off-targets.